6-(morpholin-4-yl)pyridine-2-carboxylic acid

• ChemBase ID: 92605
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: n1c(cccc1N1CCOCC1)C(=O)O
• Canonical SMILES: OC(=O)c1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O3/c13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,13,14)
• InChIKey: SAZSDHZXRMXESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-2-carboxylic acid
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-2-carboxylic acid
• Synonyms: 6-morpholinopyridine-2-carboxylic acid; 6-(Morpholin-4-yl)picolinic acid; 6-(Morpholin-4-yl)pyridine-2-carboxylic acid 97%

Database IDs

• CAS Number: 554405-17-3
• MDL Number: MFCD03965867
• PubChem SID: 162079303
• PubChem CID: 2388921

CALCULATED PROPERTIES

• Acid pKa: 1.7266077
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.74964434
• LogD (pH = 7.4): -1.3267621
• Log P: -0.73259586
• Molar Refractivity: 54.6019 cm^3
• Polarizability: 20.29684 Å^3
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-129°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%